Dresden 2006 – wissenschaftliches Programm
Bereiche | Tage | Auswahl | Suche | Downloads | Hilfe
DF: Dielektrische Festkörper
DF 3: Poster Session
DF 3.16: Poster
Montag, 27. März 2006, 09:30–17:00, P1
Electronic structure and optical properties of sodium titanium diphosphate crystals — •Oleksandr Oliynyk1, Yuriy Hizhnyi1, Sergiy Nedilko1, Volodymyr Bojko2, Pavlo Nagornyi1, and Mykola Slobodyanik1 — 1Kyiv National Taras Shevchenko University, 2, block 1, Hlushkova av., 03680, Kyiv, Ukraine — 2National Agriculture University, Geroiv Oborony st., 03041, Kyiv, Ukraine
Sodium titanium diphosphate crystals NaTiP2O7 belong to the family of the complex phosphates of the alkaline and polyvalent metals. NaTiP2O7 can be considered as the base for development of new crystallophosphors. Such new materials can be designed by making the solid state solutions on the base of sodium titanium diphosphate matrixes.
Both experimental and theoretical investigations of NaTiP2O7 optical properties are carried out. Luminescence spectra are measured in 350 - 850 nm spectral region in temperature range 4.2 - 300 K. Several bands of luminescence in blue-green and orange-red region were found in the spectra. The electronic structure of NaTiP2O7 is calculated by full potential Linear Augmented Plane Wave (FLAPW) method implemented in WIEN2k program code [1]. The structures of the electronic bands, the energy dependencies of the components of dielectric tensor, reflection and absorption spectra of NaTiP2O7 are calculated. Results of the calculations are compared with experimental data and with results of the electronic structure calculations of several other complex phosphates. The origin of the NaTiP2O7 luminescence bands is discussed.
[1] P. Blaha, et. al., 2001, ISBN 3-9501031-1-2